4 Pull requests merged by 3 people

• fix accessing parameters in windows

  #292 merged Apr 19, 2025

• Replace Ubuntu 20.04 with 22.04

  #291 merged Apr 16, 2025

• Move coordination number to mctc-lib

  #283 merged Apr 11, 2025

• Replace OMP reductions by thread-private variables + critical summation

  #287 merged Apr 7, 2025

1 Pull request opened by 1 person

• NVHPC for CMake build

  #290 opened Apr 16, 2025

1 Issue closed by 1 person

• dftd4+ASE tests failing

  #261 closed Apr 17, 2025

2 Issues opened by 2 people

• Conda Install of dftd4-python fails, libmctc-lib.so.0: cannot enable executable stack

  #289 opened Apr 14, 2025

• DFTD4 support for nvhpc compiler

  #288 opened Apr 14, 2025

4 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• Large discontinuities in dispersion energy for slab systems with hexagonal lattice and large vacuum gap

  #285 commented on Apr 11, 2025 • 0 new comments

• Spurious forces for PdAg system

  #224 commented on Apr 11, 2025 • 0 new comments

• Non-zero D4 interaction energy in dissociation limit

  #223 commented on Apr 11, 2025 • 0 new comments

• Import modules from DFT-D4 and simple-DFT-D3 in the same subroutine

  #281 commented on Apr 16, 2025 • 0 new comments